5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one

C23H20ClFN6O2 — CID 168887585

IUPAC5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one
SMILESO=c1[nH]ncc2c(-c3ccc(Cl)cc3F)nc(N3CCOC(c4cnn(C5CC5)c4)C3)cc12
InChIInChI=1S/C23H20ClFN6O2/c24-14-1-4-16(19(25)7-14)22-18-10-26-29-23(32)17(18)8-21(28-22)30-5-6-33-20(12-30)13-9-27-31(11-13)15-2-3-15/h1,4,7-11,15,20H,2-3,5-6,12H2,(H,29,32)
InChIKeyAJXHGAGJEONHFP-UHFFFAOYSA-N
MW466.90 g/mol
LogP3.89
Rot. Bonds4

About 5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one

5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one (PubChem CID 168887585) has the molecular formula C23H20ClFN6O2 and a molecular weight of 466.90 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one
PubChem CID168887585
Molecular FormulaC23H20ClFN6O2
Molecular Weight466.90 g/mol
Exact Mass466.13
IUPAC Name5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one
SMILESO=c1[nH]ncc2c(-c3ccc(Cl)cc3F)nc(N3CCOC(c4cnn(C5CC5)c4)C3)cc12
InChIInChI=1S/C23H20ClFN6O2/c24-14-1-4-16(19(25)7-14)22-18-10-26-29-23(32)17(18)8-21(28-22)30-5-6-33-20(12-30)13-9-27-31(11-13)15-2-3-15/h1,4,7-11,15,20H,2-3,5-6,12H2,(H,29,32)
InChIKeyAJXHGAGJEONHFP-UHFFFAOYSA-N
XLogP3.89
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2-methyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 157045677
4-(4-chloro-2-fluorophenyl)-2-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-7H-pyrimido[4,5-d]pyridazin-8-one
CID 170182312
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2S)-2-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]morpholin-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830728
(2R)-4-[5-(4-chloro-2-fluorophenyl)-1,6-naphthyridin-7-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 157044906
4-(4-chloro-2-fluorophenyl)-6-[(2S)-2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-propyl-3H-pyrrolo[3,4-c]pyridin-1-one
CID 174185344
13-(4-chloro-2-fluorophenyl)-4,4-difluoro-11-[2-(1-methylpyrazol-4-yl)morpholin-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177151814
4-(4-chloro-2-fluorophenyl)-2-morpholin-4-yl-7H-pyrimido[4,5-d]pyridazin-8-one;1-cyclopropylpyrazole
CID 168887394
13-(4-chloro-2-fluorophenyl)-11-[(2S)-2-[1-[2-(1,1-dioxothietan-3-yl)ethyl]pyrazol-4-yl]morpholin-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(13),2,9,11-tetraen-8-one
CID 177152057
7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one
CID 170182310
4-(4-chloro-2-fluorophenyl)-2-[(2S,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-7-methylpyrido[2,3-d]pyrimidine
CID 166561399
4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157044857
4-(4-chloro-2-fluorophenyl)-2-[(2S,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157045736

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one (CID 168887585) is 5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one is O=c1[nH]ncc2c(-c3ccc(Cl)cc3F)nc(N3CCOC(c4cnn(C5CC5)c4)C3)cc12.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one?
The InChIKey is AJXHGAGJEONHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O2/c24-14-1-4-16(19(25)7-14)22-18-10-26-29-23(32)17(18)8-21(28-22)30-5-6-33-20(12-30)13-9-27-31(11-13)15-2-3-15/h1,4,7-11,15,20H,2-3,5-6,12H2,(H,29,32).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one?
5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one has a molecular weight of 466.90 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-7-[2-(1-cyclopropylpyrazol-4-yl)morpholin-4-yl]-2H-pyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 168887585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).